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Merge pull request #3939 from yury-lysogorskiy/feature/ml-pace-bgrad

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upd ML-PACE.cmake and Install.py (new version v.2023.10.04 and checks…
This commit is contained in:
Axel Kohlmeyer
2023-10-13 11:18:44 -04:00
committed by GitHub
parent 1150f1ab07 d29ae7af92
commit 02d66ea4ca
2 changed files with 4 additions and 4 deletions
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4
cmake/Modules/Packages/ML-PACE.cmake
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@ -1,6 +1,6 @@
set(PACELIB_URL "https://github.com/ICAMS/lammps-user-pace/archive/refs/tags/v.2023.10.04.pre.tar.gz" CACHE STRING "URL for PACE evaluator library sources") set(PACELIB_URL "https://github.com/ICAMS/lammps-user-pace/archive/refs/tags/v.2023.10.04.tar.gz" CACHE STRING "URL for PACE evaluator library sources")
set(PACELIB_MD5 "61ba11a37ee00de8365b18b521d394a6" CACHE STRING "MD5 checksum of PACE evaluator library tarball") set(PACELIB_MD5 "70ff79f4e59af175e55d24f3243ad1ff" CACHE STRING "MD5 checksum of PACE evaluator library tarball")
mark_as_advanced(PACELIB_URL) mark_as_advanced(PACELIB_URL)
mark_as_advanced(PACELIB_MD5) mark_as_advanced(PACELIB_MD5)
GetFallbackURL(PACELIB_URL PACELIB_FALLBACK) GetFallbackURL(PACELIB_URL PACELIB_FALLBACK)

4
lib/pace/Install.py
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@ -18,11 +18,11 @@ from install_helpers import fullpath, geturl, checkmd5sum, getfallback
# settings # settings
thisdir = fullpath('.') thisdir = fullpath('.')
version ='v.2023.10.04.pre' version ='v.2023.10.04'
# known checksums for different PACE versions. used to validate the download. # known checksums for different PACE versions. used to validate the download.
checksums = { \ checksums = { \
'v.2023.10.04.pre': '61ba11a37ee00de8365b18b521d394a6' 'v.2023.10.04': '70ff79f4e59af175e55d24f3243ad1ff'
} }
parser = ArgumentParser(prog='Install.py', description="LAMMPS library build wrapper script") parser = ArgumentParser(prog='Install.py', description="LAMMPS library build wrapper script")